4-Fluoro-3-(naphthalen-1-yl)benzoic acid - CAS 1261913-44-3
Catalog: |
BB065044 |
Product Name: |
4-Fluoro-3-(naphthalen-1-yl)benzoic acid |
CAS: |
1261913-44-3 |
Synonyms: |
4-Fluoro-3-(naphthalen-1-yl)benzoic acid; 4-fluoro-3-naphthalen-1-ylbenzoic acid; 4-Fluoro-3-(naphthalen-1-yl)benzoicacid |
IUPAC Name: | 4-fluoro-3-naphthalen-1-ylbenzoic acid |
Molecular Weight: | 266.27 |
Molecular Formula: | C17H11FO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2C3=C(C=CC(=C3)C(=O)O)F |
InChI: | InChI=1S/C17H11FO2/c18-16-9-8-12(17(19)20)10-15(16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,20) |
InChI Key: | CEJVPMARNOGNKR-UHFFFAOYSA-N |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.07430775 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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